CID 44150273

93803-59-9

Structural Information

Molecular Formula
C28H42O2
SMILES
CC(C)C1=CC(=C(C(=C1)C(C2=CC(=CC(=C2O)C(C)C)C(C)C)C(C)C)O)C(C)C
InChI
InChI=1S/C28H42O2/c1-15(2)20-11-22(17(5)6)27(29)24(13-20)26(19(9)10)25-14-21(16(3)4)12-23(18(7)8)28(25)30/h11-19,26,29-30H,1-10H3
InChIKey
KPJUNYFTCMRIRE-UHFFFAOYSA-N
Compound name
2-[1-[2-hydroxy-3,5-di(propan-2-yl)phenyl]-2-methylpropyl]-4,6-di(propan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.31848 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.32576 203.5
[M+Na]+ 433.30770 206.9
[M-H]- 409.31120 207.1
[M+NH4]+ 428.35230 213.5
[M+K]+ 449.28164 203.4
[M+H-H2O]+ 393.31574 196.5
[M+HCOO]- 455.31668 214.5
[M+CH3COO]- 469.33233 235.5
[M+Na-2H]- 431.29315 192.3
[M]+ 410.31793 205.6
[M]- 410.31903 205.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.